Cu Based Dilute Alloys for Tuning the C2+ Selectivity of Electrochemical CO2 Reduction
Electrochemical CO2 reduction is a promising technology for replacing fossil fuel feedstocks
in the chemical industry but further improvements in catalyst selectivity need to be made. So …
in the chemical industry but further improvements in catalyst selectivity need to be made. So …
Understanding the Unique Reactivity of Cu for Electrochemical CO2 Reduction with a 3-Site Model
Cu-based catalysts for the electrochemical reduction of CO2 and CO exhibit a perplexingly
unique reactivity toward multicarbon based products compared to other studied …
unique reactivity toward multicarbon based products compared to other studied …
Cross-Scale Catalyst Modeling Applied to H2 Storage and Release via Formic Acid
We propose the Systems-to-Atoms (S2A) modeling framework that integrates the kinetics of
reaction chemistry and structural configurations across various length scales with the aim of …
reaction chemistry and structural configurations across various length scales with the aim of …
Comprehensive sampling of coverage effects in catalysis by leveraging generalization in neural network models
Sampling high-coverage configurations and predicting adsorbate–adsorbate interactions on
surfaces are highly relevant to understand realistic interfaces in heterogeneous catalysis …
surfaces are highly relevant to understand realistic interfaces in heterogeneous catalysis …
Dissolved CO2 Modulates the Electrochemical Capacitance on Gold Electrodes
R Ding, AR Siddiqui, K Martin, J N'Diaye… - ACS …, 2025 - ACS Publications
The presence of CO2 at an electrified interface between an aqueous electrolyte and a metal
electrode is the prerequisite for many electrochemical CO2 capture technologies. To …
electrode is the prerequisite for many electrochemical CO2 capture technologies. To …
Impact of Applied Potential on the Facet Ratio and Size of Ir and Cu Catalysts
P Jayamaha, L Wang - 2024 - chemrxiv.org
The surface energy of a catalyst material is important for understanding the fundamental
behavior of nanoparticles and bulk crystals, particularly in terms of activity, selectivity …
behavior of nanoparticles and bulk crystals, particularly in terms of activity, selectivity …
Reaction Pathways for Electrochemical CO2 Reduction into Ethanol
P Jayamaha, L Wang - 2024 - chemrxiv.org
Electrochemical CO2 reduction reaction (CO2RR) offers a promising route to storing
chemical energy and producing valuable chemicals, while also contributing to carbon cycle …
chemical energy and producing valuable chemicals, while also contributing to carbon cycle …
Cross-scale catalyst modeling framework: A case study of H2 storage and release via formic acid
We propose a novel Systems-to-Atoms (S2A) modeling framework that integrates the
kinetics of reaction chemistry and structural configurations across various length scales with …
kinetics of reaction chemistry and structural configurations across various length scales with …